N-(trifluoromethyl)cyclohexanecarboxamide

C8H12F3NO — CID 54530013

IUPACN-(trifluoromethyl)cyclohexanecarboxamide
SMILESO=C(NC(F)(F)F)C1CCCCC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)12-7(13)6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13)
InChIKeyYVVUUBOHHVSUET-UHFFFAOYSA-N
MW195.18 g/mol
LogP2.20
Rot. Bonds1

About N-(trifluoromethyl)cyclohexanecarboxamide

N-(trifluoromethyl)cyclohexanecarboxamide (PubChem CID 54530013) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-(trifluoromethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(trifluoromethyl)cyclohexanecarboxamide
PubChem CID54530013
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-(trifluoromethyl)cyclohexanecarboxamide
SMILESO=C(NC(F)(F)F)C1CCCCC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)12-7(13)6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13)
InChIKeyYVVUUBOHHVSUET-UHFFFAOYSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)cyclohexanecarboxamide?
The IUPAC name of N-(trifluoromethyl)cyclohexanecarboxamide (CID 54530013) is N-(trifluoromethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(trifluoromethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(trifluoromethyl)cyclohexanecarboxamide is O=C(NC(F)(F)F)C1CCCCC1.
What is the InChIKey of N-(trifluoromethyl)cyclohexanecarboxamide?
The InChIKey is YVVUUBOHHVSUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)12-7(13)6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13).
What are the key properties of N-(trifluoromethyl)cyclohexanecarboxamide?
N-(trifluoromethyl)cyclohexanecarboxamide has a molecular weight of 195.18 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)cyclohexanecarboxamide is sourced from PubChem (CID 54530013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).